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5-amino-2-methyl-2,3-dihydro-1H-isoindol-1-one - 97%, high purity , CAS No.1190380-38-1
Discover 5-amino-2-methyl-2,3-dihydro-1H-isoindol-1-one by Aladdin Scientific in 97% for only $144.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1190380-38-1 | 5-Amino-2,3-dihydro-2-methyl-1H-Isoindol-1-one | 5-amino-2-methylisoindolin-1-one | 5-amino-2-methyl-2,3-dihydro-1H-isoindol-1-one | 5-amino-2-methyl-3H-isoindol-1-one | 1H-ISOINDOL-1-ONE, 5-AMINO-2,3-DIHYDRO-2-METHYL- | MFCD17214360 | SCHEMBL2144936 | DTX
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindolines
Intermediate Tree Nodes
Not available
Direct Parent
Isoindolones
Alternative Parents
Isoindoles Benzenoids Tertiary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindolone - Isoindole - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
5-amino-2-methyl-3H-isoindol-1-one
INCHI
InChI=1S/C9H10N2O/c1-11-5-6-4-7(10)2-3-8(6)9(11)12/h2-4H,5,10H2,1H3
InChIKey
VNYNRNAJJGDULT-UHFFFAOYSA-N
Smiles
CN1CC2=C(C1=O)C=CC(=C2)N
Isomeric SMILES
CN1CC2=C(C1=O)C=CC(=C2)N
Molecular Weight
162.1885
Reaxy-Rn
19608315
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19608315&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Molecular Weight
162.190 g/mol
XLogP3
0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
162.079 Da
Monoisotopic Mass
162.079 Da
Topological Polar Surface Area
46.300 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
205.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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J2218489